General Information of the Compound
Compound ID
CP0909259
Compound Name
N-(5,6-dihydrothiazolo[2,3-c][1,2,4]triazol-3-yl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
    Show/Hide
Structure
Formula
C12H16N6OS
Molecular Weight
292.368
Canonical SMILES
Cc1n[nH]c(C)c1CCC(=O)Nc1nnc2n1CCS2
    Show/Hide
InChI
InChI=1S/C12H16N6OS/c1-7-9(8(2)15-14-7)3-4-10(19)13-11-16-17-12-18(11)5-6-20-12/h3-6H2,1-2H3,(H,14,15)(H,13,16,19)
    Show/Hide
InChIKey
MFFZLCHXVSDXCC-UHFFFAOYSA-N
Physicochemical Property
logP
1.29504
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
88.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 73293214
ChEMBL ID
CHEMBL2425789
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 195 nM
   TI
   LI
   LO
   TS